SCHEMBL3843720

SCHEMBL3843720

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1Cc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.43
TAAR1 Q96RJ0 4/20 0.42
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TNKS O95271 1/20 0.36
HTR1A P08908 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3839883 0.82 CRHR1 (0.42) CRHR1
SCHEMBL3840037 0.81 CRHR1 (0.43) CRHR1TNKS
SCHEMBL3843303 0.81 CRHR1 (0.44) CRHR1TNKS
SCHEMBL3839128 0.81 CRHR1 (0.51) CRHR1
SCHEMBL3840017 0.80 CRHR1 (0.42) CRHR1TAAR1ADRA2AADRA2BADRA2C
SCHEMBL3364388 0.80 CRHR1 (0.48) CRHR1
SCHEMBL3364753 0.79 CRHR1 (0.50) CRHR1
SCHEMBL3364574 0.79 CRHR1 (0.50) CRHR1
SCHEMBL13617783 0.79 CRHR1 (0.41) CRHR1TNKS
SCHEMBL3839192 0.79 TAAR1 (0.43) CRHR1TAAR1ADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-2007753-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2008-12-31 EP disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA1, GABRA2, GABRA3 CRHR1 96/4885TAAR1 102/4885ADRA2A 31/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.